8104-04735 Screening compound: ({5-bromo-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

8104-04735 Screening compound: ({5-bromo-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
8104-04735 Screening compound: ({5-bromo-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8104-04735
({5-bromo-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8104-04735

Molecular Formula

C18H19BrFN5OS (C18 H19 BrFN5 OS)

Compound Name

({5-bromo-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

({5-bromo-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc(cc1)Br)c1OCc(cc1)ccc1F

InChI

InChI=1S/C18H19BrFN5OS/c1-25-18(22-23-24-25)27-9-8-21-11-14-10-15(19)4-7-17(14)26-12-13-2-5-16(20)6-3-13/h2-7,10,21H,8-9,11-12H2,1H3

InChI Key

KZOUZNYFNWKQQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406825

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

452.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

0.405

Water Solubility, LogSw

-3.59

Polar Surface Area

59.503

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

10.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 8104-04735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8104-04735?
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What is the minimum amount of 8104-04735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8104-04735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8104-04735
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8104-04735 available by request